#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhr n SER 2 N 0.00 -7.88 0.00 1.61 2.88 -1.26 -5.05 113.62 103.92 1uhr n SER 2 Ca 0.00 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1uhr n SER 2 Cb 0.00 -4.59 0.00 0.00 -0.75 0.00 0.00 64.21 58.87 1uhr n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uhr n SER 3 N -4.32 0.00 -3.58 -3.46 2.88 -1.26 -5.19 113.62 98.70 1uhr n SER 3 Ca -0.05 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.42 1uhr n SER 3 Cb 0.67 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1uhr n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uhr s GLY 4 N 0.00 0.00 -0.02 0.46 0.00 -1.26 -5.17 107.32 101.34 1uhr s GLY 4 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1uhr s GLY 4 CO 0.00 0.09 0.01 -0.56 0.00 0.00 0.00 173.10 172.64 1uhr s SER 5 N -3.00 0.17 -0.11 1.64 0.01 -1.26 -5.14 113.70 106.01 1uhr s SER 5 Ca 0.13 0.00 -0.32 0.00 1.31 0.00 0.00 55.95 57.07 1uhr s SER 5 Cb -0.04 -0.09 0.12 0.00 0.21 0.00 0.00 66.02 66.22 1uhr s SER 5 CO 0.07 -0.07 1.07 -0.55 0.41 0.00 0.00 173.24 174.16 1uhr s SER 6 N 0.70 -0.24 0.00 2.44 0.15 -1.26 -5.12 113.70 110.37 1uhr s SER 6 Ca -0.06 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1uhr s SER 6 Cb -0.09 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1uhr s SER 6 CO -0.02 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1uhr n GLY 7 N -0.14 -1.05 3.79 9.45 0.00 -1.26 -4.69 105.19 111.29 1uhr n GLY 7 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1uhr n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uhr s GLN 8 N 0.00 3.74 0.77 1.61 -2.07 -1.26 -5.03 119.66 117.42 1uhr s GLN 8 Ca 0.00 1.46 -0.11 0.00 -1.82 0.00 0.00 55.36 54.88 1uhr s GLN 8 Cb 0.00 -2.14 0.05 0.00 -1.09 0.00 0.00 33.01 29.84 1uhr s GLN 8 CO 0.00 -0.50 1.09 -1.25 -1.32 0.00 0.00 175.29 173.31 1uhr s PRO 9 N -3.14 2.31 0.75 9.60 0.04 -1.26 -5.04 135.00 138.25 1uhr s PRO 9 Ca 0.67 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 1uhr s PRO 9 Cb -0.19 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1uhr s PRO 9 CO 0.23 -1.48 1.08 -1.25 0.04 0.00 0.00 177.00 175.62 1uhr s PRO 10 N -5.13 2.51 -0.30 0.56 0.04 -1.26 -5.03 135.00 126.39 1uhr s PRO 10 Ca 0.60 0.80 -0.00 0.00 0.04 0.00 0.00 61.00 62.44 1uhr s PRO 10 Cb -0.14 -1.95 0.19 0.00 0.04 0.00 0.00 34.50 32.64 1uhr s PRO 10 CO 0.54 -1.36 0.63 -0.65 0.04 0.00 0.00 177.00 176.20 1uhr s GLN 11 N -5.10 0.54 0.16 4.56 -0.21 -1.26 -3.37 119.66 114.98 1uhr s GLN 11 Ca 0.59 0.86 0.03 0.00 0.02 0.00 0.00 55.36 56.87 1uhr s GLN 11 Cb -0.14 0.46 -0.04 0.00 1.00 0.00 0.00 33.01 34.30 1uhr s GLN 11 CO 0.55 -0.69 0.25 -0.06 -2.12 0.00 0.00 175.29 173.22 1uhr s PHE 12 N 2.86 3.39 0.10 0.91 0.40 0.46 -4.65 117.98 121.45 1uhr s PHE 12 Ca 0.17 0.07 -0.23 0.00 -0.60 0.00 0.00 56.93 56.35 1uhr s PHE 12 Cb -0.13 -1.62 -0.07 0.00 0.51 0.00 0.00 43.02 41.71 1uhr s PHE 12 CO -0.22 0.51 0.68 0.21 0.70 0.00 0.00 175.22 177.11 1uhr s LYS 13 N -3.23 4.40 0.16 0.44 2.20 0.94 -2.47 119.74 122.17 1uhr s LYS 13 Ca 0.33 0.94 -0.16 0.00 -0.36 0.00 0.00 55.97 56.73 1uhr s LYS 13 Cb -0.11 -3.28 -0.07 0.00 -1.51 0.00 0.00 37.83 32.86 1uhr s LYS 13 CO 0.27 0.53 0.60 -0.51 -0.36 0.00 0.00 175.35 175.88 1uhr s LEU 14 N -0.87 4.36 1.12 5.43 1.43 0.36 -0.61 118.68 129.88 1uhr s LEU 14 Ca 0.33 1.18 -0.15 0.00 -1.03 0.00 0.00 54.13 54.46 1uhr s LEU 14 Cb -0.21 -3.31 0.18 0.00 0.03 0.00 0.00 46.19 42.88 1uhr s LEU 14 CO 0.22 0.10 0.55 -0.67 0.23 0.00 0.00 176.35 176.78 1uhr n ASP 15 N 0.87 -1.89 0.18 2.29 2.03 -0.68 -4.40 116.55 114.95 1uhr n ASP 15 Ca -0.05 -0.06 0.14 0.00 0.52 0.00 0.00 54.79 55.34 1uhr n ASP 15 Cb 0.51 -1.15 0.44 0.00 -0.72 0.00 0.00 41.12 40.21 1uhr n ASP 15 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1uhr h PRO 16 N -2.28 0.00 0.00 -0.67 0.13 -1.97 1.07 132.00 128.29 1uhr h PRO 16 Ca -0.55 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.34 1uhr h PRO 16 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1uhr h PRO 16 CO 0.43 0.00 -2.05 0.54 -0.23 0.00 0.00 178.00 176.68 1uhr n ARG 17 N -2.65 0.66 -0.07 0.86 1.74 -1.26 -4.34 116.66 111.60 1uhr n ARG 17 Ca 0.03 0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.90 1uhr n ARG 17 Cb 0.37 -1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 30.09 1uhr n ARG 17 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1uhr n LEU 18 N -2.68 2.28 -0.59 0.55 7.94 -1.15 -2.65 117.00 120.70 1uhr n LEU 18 Ca -0.20 0.28 0.47 0.00 -1.11 0.00 0.00 56.01 55.44 1uhr n LEU 18 Cb 0.95 -1.00 0.75 0.00 0.53 0.00 0.00 43.42 44.65 1uhr n LEU 18 CO 0.44 0.60 1.36 0.00 -1.11 0.00 0.00 177.39 178.67 1uhr n ALA 19 N -3.34 1.63 -0.05 1.96 0.00 0.37 0.12 120.51 121.20 1uhr n ALA 19 Ca -0.36 0.77 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 1uhr n ALA 19 Cb 0.88 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.09 1uhr n ALA 19 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1uhr n ARG 20 N -4.35 0.70 -0.19 0.00 1.85 -1.26 -1.38 116.66 112.04 1uhr n ARG 20 Ca 0.43 0.26 -0.10 0.00 -1.00 0.00 0.00 57.85 57.44 1uhr n ARG 20 Cb 1.80 -1.65 -0.05 0.00 -1.05 0.00 0.00 32.46 31.50 1uhr n ARG 20 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1uhr h LEU 21 N -0.10 -1.60 0.08 2.89 5.85 0.11 -2.28 115.31 120.26 1uhr h LEU 21 Ca -0.47 0.24 -0.31 0.00 0.84 0.00 0.00 57.88 58.18 1uhr h LEU 21 Cb 1.91 0.70 -0.02 0.00 0.37 0.00 0.00 40.66 43.62 1uhr h LEU 21 CO -0.01 -0.35 -1.66 -0.07 -0.34 0.00 0.00 178.44 176.01 1uhr h LEU 22 N -0.27 0.25 0.00 2.25 3.38 -1.16 -3.48 115.31 116.28 1uhr h LEU 22 Ca 0.15 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1uhr h LEU 22 Cb 0.57 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1uhr h LEU 22 CO -0.66 1.37 0.00 0.61 0.09 0.00 0.00 178.44 179.85 1uhr n GLY 23 N 1.68 0.35 3.69 0.83 0.00 -0.48 -5.06 105.19 106.20 1uhr n GLY 23 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1uhr n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uhr s ILE 24 N -2.00 5.24 -0.16 -0.61 1.01 -0.91 -4.84 121.20 118.94 1uhr s ILE 24 Ca 0.00 0.64 -0.12 0.00 0.00 0.00 0.00 60.65 61.16 1uhr s ILE 24 Cb 0.00 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 1uhr s ILE 24 CO 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 174.94 175.15 1uhr n HIS 25 N 4.14 0.92 -4.25 3.97 1.44 -1.26 -4.14 115.22 116.04 1uhr n HIS 25 Ca -0.10 0.40 -0.24 0.00 -2.01 0.00 0.00 57.72 55.77 1uhr n HIS 25 Cb 0.51 -0.85 -0.17 0.00 0.12 0.00 0.00 29.99 29.61 1uhr n HIS 25 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1uhr s THR 26 N -2.29 0.91 0.30 0.61 2.01 -1.26 0.13 115.64 116.05 1uhr s THR 26 Ca -0.19 -0.30 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 1uhr s THR 26 Cb 0.03 -0.89 0.03 0.00 0.01 0.00 0.00 72.50 71.68 1uhr s THR 26 CO 0.31 0.32 0.74 -1.58 -0.69 0.00 0.00 174.62 173.72 1uhr s GLN 27 N 1.09 1.87 0.56 4.92 2.00 -1.03 -4.95 119.66 124.12 1uhr s GLN 27 Ca -0.07 -1.07 -0.09 0.00 -2.00 0.00 0.00 55.36 52.12 1uhr s GLN 27 Cb -0.14 0.61 0.14 0.00 0.80 0.00 0.00 33.01 34.42 1uhr s GLN 27 CO -0.01 -0.86 0.46 0.25 -0.50 0.00 0.00 175.29 174.63 1uhr n THR 28 N -0.47 0.00 0.06 -0.34 -2.24 -1.22 -0.40 114.28 109.67 1uhr n THR 28 Ca -0.05 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.34 1uhr n THR 28 Cb 0.59 -0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 67.71 1uhr n THR 28 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1uhr h ARG 29 N 0.00 0.35 0.00 -0.78 2.43 -1.98 -2.72 114.38 111.69 1uhr h ARG 29 Ca -0.18 -0.61 0.00 0.00 -0.81 0.00 0.00 59.98 58.39 1uhr h ARG 29 Cb 0.56 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1uhr h ARG 29 CO 0.12 1.29 0.00 -0.35 -1.51 0.00 0.00 179.97 179.52 1uhr n PRO 30 N -3.83 0.39 -0.10 0.20 -0.04 -1.26 -0.70 135.00 129.66 1uhr n PRO 30 Ca -0.22 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 1uhr n PRO 30 Cb 0.98 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.79 1uhr n PRO 30 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1uhr n VAL 31 N -1.24 1.37 -0.07 0.52 0.31 -1.24 -4.07 118.33 113.92 1uhr n VAL 31 Ca 0.12 -0.76 -0.10 0.00 -0.01 0.00 0.00 64.34 63.59 1uhr n VAL 31 Cb 0.16 -0.71 -0.08 0.00 -0.91 0.00 0.00 33.84 32.30 1uhr n VAL 31 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1uhr h ILE 32 N 0.00 0.97 -0.86 2.52 2.04 -1.22 -2.48 117.51 118.48 1uhr h ILE 32 Ca -0.54 -1.79 0.21 0.00 1.00 0.00 0.00 64.86 63.74 1uhr h ILE 32 Cb 2.12 1.90 -0.15 0.00 -0.74 0.00 0.00 36.82 39.95 1uhr h ILE 32 CO -0.00 0.33 0.04 -0.29 0.00 0.00 0.00 178.15 178.23 1uhr h ILE 33 N -1.00 0.23 0.62 -0.67 2.10 -1.16 0.90 117.51 118.53 1uhr h ILE 33 Ca -0.05 -0.03 -0.03 0.00 1.08 0.00 0.00 64.86 65.83 1uhr h ILE 33 Cb 0.69 0.13 0.01 0.00 -1.09 0.00 0.00 36.82 36.55 1uhr h ILE 33 CO -0.03 0.02 -0.30 1.56 -1.08 0.00 0.00 178.15 178.32 1uhr h GLN 34 N 0.09 -0.80 -1.88 2.19 1.08 -1.71 0.01 115.11 114.09 1uhr h GLN 34 Ca 0.50 0.05 0.55 0.00 -1.45 0.00 0.00 58.65 58.30 1uhr h GLN 34 Cb 0.94 0.18 -0.08 0.00 -0.05 0.00 0.00 27.48 28.48 1uhr h GLN 34 CO -0.75 -0.53 1.35 0.00 -0.95 0.00 0.00 178.83 177.94 1uhr n ALA 35 N -2.59 1.81 -0.07 3.87 0.00 -0.47 0.19 120.51 123.24 1uhr n ALA 35 Ca -0.10 0.64 -0.11 0.00 0.00 0.00 0.00 53.44 53.87 1uhr n ALA 35 Cb 0.33 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 1uhr n ALA 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1uhr h LEU 36 N 0.00 0.00 -0.68 0.00 5.85 -0.57 -3.21 115.31 116.71 1uhr h LEU 36 Ca 0.91 -0.74 0.12 0.00 0.84 0.00 0.00 57.88 59.00 1uhr h LEU 36 Cb 3.61 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 44.55 1uhr h LEU 36 CO -0.03 0.90 0.24 -0.50 -0.34 0.00 0.00 178.44 178.70 1uhr h TRP 37 N -1.00 0.40 0.00 1.25 4.06 0.40 1.32 115.95 122.38 1uhr h TRP 37 Ca -0.01 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1uhr h TRP 37 Cb 0.78 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.86 1uhr h TRP 37 CO 0.20 0.05 0.03 0.94 -3.56 0.00 0.00 178.44 176.10 1uhr n GLN 38 N -5.03 0.13 -0.06 0.49 -0.06 0.24 -0.77 117.38 112.31 1uhr n GLN 38 Ca 0.11 0.63 -0.20 0.00 -2.00 0.00 0.00 57.00 55.54 1uhr n GLN 38 Cb 0.35 -1.96 -0.13 0.00 -4.06 0.00 0.00 30.24 24.45 1uhr n GLN 38 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 1uhr h TYR 39 N 0.00 0.12 0.00 3.69 5.03 0.17 -2.17 116.97 123.80 1uhr h TYR 39 Ca 0.00 -0.09 -0.03 0.00 2.58 0.00 0.00 58.73 61.19 1uhr h TYR 39 Cb 0.06 -0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.33 1uhr h TYR 39 CO 0.00 1.37 -0.15 0.82 -1.32 0.00 0.00 178.16 178.89 1uhr h ILE 40 N -0.81 0.48 0.01 1.81 2.04 -0.52 1.56 117.51 122.08 1uhr h ILE 40 Ca -0.24 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 1uhr h ILE 40 Cb 1.34 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1uhr h ILE 40 CO -0.08 0.14 -0.16 0.11 0.00 0.00 0.00 178.15 178.17 1uhr h LYS 41 N 0.00 0.01 -0.08 2.37 1.57 -1.07 0.22 116.57 119.60 1uhr h LYS 41 Ca -0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1uhr h LYS 41 Cb 0.50 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1uhr h LYS 41 CO 0.02 1.01 -0.20 1.15 -0.57 0.00 0.00 179.45 180.86 1uhr h THR 42 N -0.97 1.42 0.00 -0.16 2.02 -1.20 -2.88 112.91 111.13 1uhr h THR 42 Ca -0.04 -1.55 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1uhr h THR 42 Cb 1.06 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1uhr h THR 42 CO -0.01 0.44 0.00 1.41 0.37 0.00 0.00 175.52 177.72 1uhr n HIS 43 N -4.54 0.00 -4.06 3.16 8.25 0.53 -4.90 115.22 113.66 1uhr n HIS 43 Ca -0.08 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.92 1uhr n HIS 43 Cb 0.42 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.54 1uhr n HIS 43 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1uhr n LYS 44 N -1.01 -0.31 -0.00 -0.41 4.76 -0.51 -4.78 118.16 115.89 1uhr n LYS 44 Ca 0.22 0.09 0.14 0.00 -2.87 0.00 0.00 58.31 55.90 1uhr n LYS 44 Cb 0.11 -2.64 0.72 0.00 -1.84 0.00 0.00 35.03 31.38 1uhr n LYS 44 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1uhr n LEU 45 N -5.01 0.70 -4.64 -0.35 4.77 0.65 -4.89 117.00 108.23 1uhr n LEU 45 Ca -0.11 -0.24 -0.49 0.00 -0.03 0.00 0.00 56.01 55.13 1uhr n LEU 45 Cb 0.57 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1uhr n LEU 45 CO 0.74 0.12 1.11 1.67 -1.33 0.00 0.00 177.39 179.71 1uhr n GLN 46 N -0.44 1.68 -1.79 3.23 7.27 -1.25 -0.26 117.38 125.83 1uhr n GLN 46 Ca 0.21 0.61 -0.42 0.00 0.07 0.00 0.00 57.00 57.47 1uhr n GLN 46 Cb 0.22 -2.33 -0.03 0.00 2.41 0.00 0.00 30.24 30.51 1uhr n GLN 46 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1uhr s ASP 47 N 1.19 6.43 0.11 1.69 2.15 -0.89 -4.60 116.67 122.74 1uhr s ASP 47 Ca 0.84 2.83 0.23 0.00 0.43 0.00 0.00 52.55 56.88 1uhr s ASP 47 Cb -0.82 -2.61 0.92 0.00 -0.30 0.00 0.00 42.92 40.11 1uhr s ASP 47 CO 0.45 -0.92 1.72 -0.81 -0.17 0.00 0.00 175.17 175.43 1uhr n PRO 48 N 3.58 0.10 -0.08 4.34 -0.04 -1.26 -3.51 135.00 138.14 1uhr n PRO 48 Ca 0.14 0.21 -0.10 0.00 -0.04 0.00 0.00 63.50 63.71 1uhr n PRO 48 Cb 0.36 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 1uhr n PRO 48 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhr h HIS 49 N 0.00 0.00 -1.37 0.54 3.86 -1.96 -3.48 115.15 112.74 1uhr h HIS 49 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1uhr h HIS 49 Cb 0.46 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.85 1uhr h HIS 49 CO 0.00 0.54 -0.45 -1.21 0.86 0.00 0.00 177.93 177.66 1uhr s GLU 50 N -2.17 2.27 -0.00 2.45 0.41 -1.23 -5.04 118.70 115.38 1uhr s GLU 50 Ca -0.17 -1.86 0.13 0.00 -0.41 0.00 0.00 54.97 52.66 1uhr s GLU 50 Cb 0.02 -2.03 -0.16 0.00 -1.78 0.00 0.00 34.13 30.19 1uhr s GLU 50 CO 0.34 -0.21 0.52 0.54 -0.49 0.00 0.00 175.26 175.95 1uhr n ARG 51 N -1.36 2.18 -0.02 1.61 5.12 -1.26 -4.07 116.66 118.87 1uhr n ARG 51 Ca -0.01 -0.02 0.06 0.00 -1.93 0.00 0.00 57.85 55.94 1uhr n ARG 51 Cb 0.64 -1.17 -0.15 0.00 -1.16 0.00 0.00 32.46 30.63 1uhr n ARG 51 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1uhr n GLU 52 N -1.44 0.66 -2.57 5.56 0.00 -1.26 -4.93 120.64 116.65 1uhr n GLU 52 Ca 0.02 -0.11 -0.23 0.00 0.00 0.00 0.00 57.16 56.84 1uhr n GLU 52 Cb 0.24 -1.56 0.04 0.00 0.00 0.00 0.00 31.44 30.15 1uhr n GLU 52 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1uhr s PHE 53 N -3.26 2.98 -0.13 -1.84 0.40 -1.26 0.14 117.98 115.00 1uhr s PHE 53 Ca -0.07 0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.40 1uhr s PHE 53 Cb 0.12 -2.78 0.06 0.00 0.51 0.00 0.00 43.02 40.93 1uhr s PHE 53 CO 0.88 -0.90 0.28 0.54 0.70 0.00 0.00 175.22 176.72 1uhr s VAL 54 N -2.86 -0.30 -0.56 -0.44 0.11 0.27 -2.09 120.40 114.52 1uhr s VAL 54 Ca 0.56 0.22 -0.27 0.00 -2.93 0.00 0.00 61.98 59.56 1uhr s VAL 54 Cb -0.10 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1uhr s VAL 54 CO 0.40 0.09 1.12 -0.76 -3.33 0.00 0.00 175.10 172.62 1uhr s LEU 55 N 2.03 3.65 0.25 2.54 1.43 0.65 -3.25 118.68 125.98 1uhr s LEU 55 Ca -0.03 0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 1uhr s LEU 55 Cb -0.11 -3.10 -0.11 0.00 0.03 0.00 0.00 46.19 42.89 1uhr s LEU 55 CO -0.09 -1.39 1.61 0.00 0.23 0.00 0.00 176.35 176.71 1uhr s ASP 57 N 0.71 3.92 0.52 0.00 -4.77 -1.26 -4.30 116.67 111.49 1uhr s ASP 57 Ca 0.66 1.24 0.44 0.00 -3.30 0.00 0.00 52.55 51.60 1uhr s ASP 57 Cb -0.47 -1.92 1.66 0.00 -1.09 0.00 0.00 42.92 41.10 1uhr s ASP 57 CO 0.42 -2.33 1.58 0.07 0.70 0.00 0.00 175.17 175.61 1uhr h LYS 58 N -1.34 0.00 0.15 2.11 2.10 -1.96 1.58 116.57 119.23 1uhr h LYS 58 Ca -0.49 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 1uhr h LYS 58 Cb 1.29 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1uhr h LYS 58 CO 0.59 0.00 -0.07 1.88 -2.00 0.00 0.00 179.45 179.85 1uhr h TYR 59 N 0.00 -0.19 -0.29 0.07 -1.99 -1.99 -2.91 116.97 109.67 1uhr h TYR 59 Ca 0.92 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 61.73 1uhr h TYR 59 Cb 3.46 0.06 -0.01 0.00 2.00 0.00 0.00 36.73 42.24 1uhr h TYR 59 CO -0.00 -0.12 0.21 -0.07 -0.00 0.00 0.00 178.16 178.18 1uhr h LEU 60 N -0.38 0.02 -1.98 3.88 3.38 -1.09 0.49 115.31 119.64 1uhr h LEU 60 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1uhr h LEU 60 Cb 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1uhr h LEU 60 CO 0.03 0.02 0.00 1.56 0.09 0.00 0.00 178.44 180.14 1uhr h GLN 61 N 0.03 0.00 0.00 1.13 4.20 0.21 1.59 115.11 122.27 1uhr h GLN 61 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1uhr h GLN 61 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1uhr h GLN 61 CO -0.01 0.00 -1.46 1.04 -0.67 0.00 0.00 178.83 177.74 1uhr n GLN 62 N -2.87 0.33 -0.08 1.46 1.13 0.17 -2.97 117.38 114.55 1uhr n GLN 62 Ca -0.01 -0.09 -0.10 0.00 -1.94 0.00 0.00 57.00 54.86 1uhr n GLN 62 Cb 0.16 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 1uhr n GLN 62 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1uhr n ILE 63 N -1.90 1.47 0.07 5.09 5.41 -0.23 -4.67 119.36 124.61 1uhr n ILE 63 Ca 0.00 0.13 -0.15 0.00 1.00 0.00 0.00 62.75 63.73 1uhr n ILE 63 Cb 0.45 -2.25 -0.07 0.00 -0.71 0.00 0.00 39.64 37.06 1uhr n ILE 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1uhr h PHE 64 N -0.91 0.67 -2.13 1.39 -1.00 0.20 -3.48 116.94 111.68 1uhr h PHE 64 Ca -0.05 -0.38 -0.28 0.00 2.81 0.00 0.00 57.97 60.08 1uhr h PHE 64 Cb 0.96 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.44 1uhr h PHE 64 CO -0.37 1.21 -0.36 0.39 -1.61 0.00 0.00 178.31 177.57 1uhr n GLU 65 N -3.74 -1.40 -3.88 1.51 1.02 -0.96 -4.98 120.64 108.21 1uhr n GLU 65 Ca -0.08 0.66 -0.30 0.00 -0.02 0.00 0.00 57.16 57.42 1uhr n GLU 65 Cb 0.87 -4.93 -0.14 0.00 -0.02 0.00 0.00 31.44 27.21 1uhr n GLU 65 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1uhr s SER 66 N -2.43 4.29 0.27 1.62 0.01 -1.26 -4.98 113.70 111.23 1uhr s SER 66 Ca 0.03 -2.30 -0.01 0.00 1.31 0.00 0.00 55.95 54.98 1uhr s SER 66 Cb -0.01 -1.34 0.61 0.00 0.21 0.00 0.00 66.02 65.49 1uhr s SER 66 CO 0.03 -0.34 1.65 0.06 0.41 0.00 0.00 173.24 175.06 1uhr h GLN 67 N 7.33 0.20 -3.01 12.44 3.07 -1.92 -3.33 115.11 129.89 1uhr h GLN 67 Ca -0.07 -0.01 -0.24 0.00 0.09 0.00 0.00 58.65 58.42 1uhr h GLN 67 Cb 0.97 -0.05 -0.33 0.00 0.08 0.00 0.00 27.48 28.16 1uhr h GLN 67 CO 0.54 0.13 -0.57 0.50 0.09 0.00 0.00 178.83 179.52 1uhr s ARG 68 N -5.99 0.11 0.18 0.06 3.52 -1.26 -2.91 118.95 112.65 1uhr s ARG 68 Ca -0.12 0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 56.08 1uhr s ARG 68 Cb 0.24 -0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 1uhr s ARG 68 CO 0.77 -0.27 0.09 0.00 -0.81 0.00 0.00 175.30 175.08 1uhr s MET 69 N 2.10 1.13 0.16 5.12 0.23 -1.20 -4.97 119.30 121.86 1uhr s MET 69 Ca -0.01 -1.57 -0.23 0.00 -1.03 0.00 0.00 55.69 52.85 1uhr s MET 69 Cb -0.12 0.15 -0.08 0.00 -1.53 0.00 0.00 34.83 33.26 1uhr s MET 69 CO -0.07 -0.31 0.73 0.15 -2.03 0.00 0.00 175.02 173.48 1uhr s LYS 70 N -4.09 4.44 0.49 3.16 1.02 -1.26 -0.57 119.74 122.94 1uhr s LYS 70 Ca 0.33 1.03 0.25 0.00 0.02 0.00 0.00 55.97 57.59 1uhr s LYS 70 Cb 0.07 -3.19 1.31 0.00 -0.52 0.00 0.00 37.83 35.51 1uhr s LYS 70 CO 0.08 0.55 1.90 0.74 -0.92 0.00 0.00 175.35 177.70 1uhr h PHE 71 N 4.21 0.21 0.00 3.18 0.04 0.91 1.41 116.94 126.88 1uhr h PHE 71 Ca -0.48 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1uhr h PHE 71 Cb 1.21 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1uhr h PHE 71 CO 0.65 0.06 0.00 0.45 -0.60 0.00 0.00 178.31 178.86 1uhr n SER 72 N -4.38 0.44 -0.90 2.17 2.88 -1.26 -1.79 113.62 110.78 1uhr n SER 72 Ca 0.17 0.59 0.11 0.00 -1.33 0.00 0.00 58.87 58.41 1uhr n SER 72 Cb 0.79 -0.69 0.28 0.00 -0.75 0.00 0.00 64.21 63.84 1uhr n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1uhr n GLU 73 N -1.96 2.17 -0.01 -1.46 -0.58 0.48 -4.12 120.64 115.17 1uhr n GLU 73 Ca 0.04 -1.77 -0.16 0.00 -0.42 0.00 0.00 57.16 54.85 1uhr n GLU 73 Cb 0.26 -1.46 -0.11 0.00 -0.57 0.00 0.00 31.44 29.56 1uhr n GLU 73 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1uhr h ILE 74 N 3.51 1.51 0.00 -3.67 1.08 -1.24 -2.60 117.51 116.10 1uhr h ILE 74 Ca 0.00 -2.02 0.00 0.00 -0.39 0.00 0.00 64.86 62.45 1uhr h ILE 74 Cb 0.77 2.74 0.00 0.00 -3.07 0.00 0.00 36.82 37.26 1uhr h ILE 74 CO 0.00 0.57 0.00 -0.81 -0.69 0.00 0.00 178.15 177.22 1uhr n PRO 75 N -4.39 0.07 0.04 2.37 -0.04 -1.26 -1.55 135.00 130.24 1uhr n PRO 75 Ca -0.10 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 1uhr n PRO 75 Cb 0.57 -1.60 0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1uhr n PRO 75 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1uhr n GLN 76 N -1.73 0.33 -0.00 0.54 6.02 -1.20 -3.91 117.38 117.43 1uhr n GLN 76 Ca 0.05 0.03 0.08 0.00 -0.01 0.00 0.00 57.00 57.15 1uhr n GLN 76 Cb 0.28 -1.64 -0.11 0.00 1.02 0.00 0.00 30.24 29.79 1uhr n GLN 76 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1uhr n ARG 77 N -2.08 1.10 -0.08 -1.09 3.00 -0.97 -4.36 116.66 112.18 1uhr n ARG 77 Ca 0.02 -0.07 -0.07 0.00 -0.01 0.00 0.00 57.85 57.71 1uhr n ARG 77 Cb 0.45 -1.33 0.10 0.00 0.00 0.00 0.00 32.46 31.68 1uhr n ARG 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1uhr h LEU 78 N 0.00 0.77 -1.78 0.55 3.38 -1.40 -2.58 115.31 114.25 1uhr h LEU 78 Ca 0.00 -0.27 0.43 0.00 0.09 0.00 0.00 57.88 58.13 1uhr h LEU 78 Cb 0.57 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1uhr h LEU 78 CO 0.00 0.97 1.02 0.45 0.09 0.00 0.00 178.44 180.96 1uhr h HIS 79 N 0.67 0.20 -0.00 1.13 3.86 -1.76 1.47 115.15 120.72 1uhr h HIS 79 Ca 0.09 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1uhr h HIS 79 Cb 0.72 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1uhr h HIS 79 CO 0.04 -0.05 -0.17 0.00 0.86 0.00 0.00 177.93 178.61 1uhr h ALA 80 N 1.35 0.03 0.00 2.45 0.00 -1.75 -3.06 119.26 118.28 1uhr h ALA 80 Ca 0.75 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1uhr h ALA 80 Cb 2.75 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.55 1uhr h ALA 80 CO -0.14 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.41 1uhr n LEU 81 N -4.57 0.49 -4.55 0.00 4.77 0.33 -4.47 117.00 108.99 1uhr n LEU 81 Ca -0.10 0.63 -0.38 0.00 -0.03 0.00 0.00 56.01 56.14 1uhr n LEU 81 Cb 0.46 -0.59 -0.11 0.00 -2.33 0.00 0.00 43.42 40.85 1uhr n LEU 81 CO 0.37 -0.54 -0.20 -0.76 -1.33 0.00 0.00 177.39 174.94 1uhr s LEU 82 N -4.11 3.88 0.29 2.23 1.43 0.42 -1.68 118.68 121.14 1uhr s LEU 82 Ca 0.04 -0.06 0.11 0.00 -1.03 0.00 0.00 54.13 53.19 1uhr s LEU 82 Cb 0.09 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1uhr s LEU 82 CO 0.32 -0.05 -0.18 -0.04 0.23 0.00 0.00 176.35 176.64 1uhr s MET 83 N 1.72 1.68 -0.33 1.70 -1.94 0.21 -4.78 119.30 117.57 1uhr s MET 83 Ca 0.07 -1.79 -0.29 0.00 -1.71 0.00 0.00 55.69 51.97 1uhr s MET 83 Cb -0.16 -1.71 0.00 0.00 2.01 0.00 0.00 34.83 34.97 1uhr s MET 83 CO 0.09 0.29 1.36 -1.25 -0.01 0.00 0.00 175.02 175.50 1uhr s PRO 84 N -3.54 3.80 1.07 2.03 0.04 -1.26 -0.04 135.00 137.10 1uhr s PRO 84 Ca 0.30 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 1uhr s PRO 84 Cb -0.03 -3.94 0.24 0.00 0.04 0.00 0.00 34.50 30.81 1uhr s PRO 84 CO 0.15 -1.27 1.22 -1.25 0.04 0.00 0.00 177.00 175.88 1uhr s PRO 85 N 4.44 -0.20 0.03 0.56 0.04 -1.26 -4.90 135.00 133.71 1uhr s PRO 85 Ca 0.59 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.40 1uhr s PRO 85 Cb -0.17 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1uhr s PRO 85 CO 0.26 -3.01 0.17 -1.83 0.04 0.00 0.00 177.00 172.64 1uhr s GLU 86 N -5.64 3.35 0.21 4.56 1.03 -1.26 -5.01 118.70 115.95 1uhr s GLU 86 Ca 0.72 -0.42 0.08 0.00 0.03 0.00 0.00 54.97 55.38 1uhr s GLU 86 Cb -0.07 -3.02 0.14 0.00 -0.80 0.00 0.00 34.13 30.38 1uhr s GLU 86 CO 0.54 0.64 1.48 -1.00 -1.33 0.00 0.00 175.26 175.59 1uhr h PRO 87 N 3.51 0.04 -0.59 -4.83 0.13 -2.03 -3.23 132.00 125.00 1uhr h PRO 87 Ca -0.47 -0.04 0.12 0.00 -0.87 0.00 0.00 66.00 64.74 1uhr h PRO 87 Cb 1.17 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1uhr h PRO 87 CO 0.71 0.78 -0.07 1.03 -0.23 0.00 0.00 178.00 180.22 1uhr h SER 88 N 0.03 -0.40 0.00 1.44 0.87 -2.06 -3.48 113.55 109.95 1uhr h SER 88 Ca -0.01 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1uhr h SER 88 Cb 1.34 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 1uhr h SER 88 CO 0.10 -0.15 0.00 0.61 -0.53 0.00 0.00 176.83 176.86 1uhr n GLY 89 N -1.38 0.21 3.79 5.77 0.00 -1.22 -5.05 105.19 107.31 1uhr n GLY 89 Ca 0.07 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 1uhr n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uhr s PRO 90 N 0.00 1.51 0.00 1.61 0.04 -1.26 -4.88 135.00 132.02 1uhr s PRO 90 Ca 0.00 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1uhr s PRO 90 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1uhr s PRO 90 CO 0.00 -1.97 0.00 0.45 0.04 0.00 0.00 177.00 175.52 1uhr n SER 91 N -3.63 0.00 -2.46 6.66 2.88 -1.26 -5.09 113.62 110.72 1uhr n SER 91 Ca 0.07 0.15 -0.05 0.00 -1.33 0.00 0.00 58.87 57.70 1uhr n SER 91 Cb 0.58 -0.46 -0.04 0.00 -0.75 0.00 0.00 64.21 63.54 1uhr n SER 91 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uhr n SER 92 N -2.24 -0.58 0.00 -3.46 7.64 -1.26 -5.29 113.62 108.42 1uhr n SER 92 Ca 0.00 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1uhr n SER 92 Cb 0.00 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 58.40 1uhr n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64